| SpectraBase Compound ID | GuayCeF42mk |
|---|---|
| InChI | InChI=1S/C11H19N/c1-9(2)11(10(3)4)7-5-6-8-12/h7,9-10H,5-6H2,1-4H3 |
| InChIKey | CFCLSPIEEXITBT-UHFFFAOYSA-N |
| Mol Weight | 165.28 g/mol |
| Molecular Formula | C11H19N |
| Exact Mass | 165.15175 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | w2F8Zt9PyT |
|---|---|
| Name | 4-Heptenenitrile, 6-methyl-5-(1-methylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.151749616 u |
| Formula | C11H19N |
| InChI | InChI=1S/C11H19N/c1-9(2)11(10(3)4)7-5-6-8-12/h7,9-10H,5-6H2,1-4H3 |
| InChIKey | CFCLSPIEEXITBT-UHFFFAOYSA-N |
| Molecular Weight | 165.280 g/mol |
| SMILES | C(=CCCC#N)(C(C)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937259 |